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Product Overview

Product Code

TRC-C685413

CAS Number

69477-27-6

Product Format

Neat

Molecular Formula

C36H40Cl2N4O8

Molecular Weight

727.63

Product Categories

TRC, Pharmaceutical Toxicology Reference Materials

Product Type

Bioactive Small Molecule

Alternate CAS Number

Free Base: 531-14-6

Documentation

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Product Information

Chemical Data

Analyte Name

Coproporphyrin I Dihydrochloride

CAS Number

69477-27-6

Molecular Formula

C36H40Cl2N4O8

Molecular Weight

727.63

Accurate Mass

726.22

SMILES

CC(C(/C=C(C(CCC(O)=O)=C/1C)\NC1=C/2)=N/3)=C(CCC(O)=O)C3=C\C4=C(C)C(CCC(O)=O)=C(/C=C5C(C)=C(CCC(O)=O)C2=N/5)N4

InChI

InChI=1S/C36H38N4O8.ClH.Cl/c1-17-21(5-9-33(41)42)29-14-26-19(3)23(7-11-35(45)46)31(39-26)16-28-20(4)24(8-12-36(47)48)32(40-28)15-27-18(2)22(6-10-34(43)44)30(38-27)13-25(17)37-29;;/h13-16,37,40H,5-12H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48);1H;/b25-13-,26-14-,27-15-,28-16-,29-14-,30-13-,31-16-,32-15-;;

IUPAC

3,3',3'',3'''-(3,8,13,18-tetramethylporphyrin-2,7,12,17-tetrayl)tetrapropionic acid hydrochloride

Alternate CAS Number

Free Base: 531-14-6

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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Product Overview

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Chemical Data

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Coproporphyrin I Dihydrochloride (>80%) (contains Coproporphyrin lll)

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